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canSAR498152
FEATURES
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NAMES
    SMILES
    Cc1c(CNc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)cnc2nc(N)nc(O)c12
    InChI
    InChI=1S/C21H22N6O6/c1-10-12(9-24-17-16(10)19(31)27-21(22)26-17)8-23-13-4-2-11(3-5-13)18(30)25-14(20(32)33)6-7-15(28)29/h2-5,9,14,23H,6-8H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,22,24,26,27,31)
    MOLECULAR FORMULA
    C21H22N6O6
    CROSS REFERENCES
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    canSAR498152

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.16
    AlogP 1.28
    HBond donors 7
    HBond acceptors 12
    Atoms 55
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR498152.